Switching of topological phase transition from semiconductor to ideal Weyl states in Cu${}_2$SnSe${}_3$ family of materials

Abstract

The exploration of topological phase transition (TPT) mechanisms constitutes a central theme in quantum materials research. Conventionally, transitions between Weyl semimetals (WSMs) and other topological states rely on the breaking of time-reversal symmetry (TRS) or precise manipulation of lattice symmetry, thus constraints the available control strategies and restrict the scope of viable material systems. In this work, we propose a novel mechanism for TPT that operates without TRS breaking or lattice symmetry modification: a class of semiconductors can be directly transformed into an ideal WSM via bandgap closure. This transition is driven by chemical doping, which simultaneously modulates the band gap and enhances spin-orbit coupling (SOC), leading to band inversion between the valence and conduction bands and thereby triggering the TPT. Using first-principles calculations, we demonstrate the feasibility of this mechanism in the Cu${}_2$SnSe${}_3$ family of materials, where two pairs of Weyl points emerge with energies extremely close to the Fermi level. The bulk Fermi surface becomes nearly point-like, while the surface Fermi surface consists exclusively of Fermi arcs. This symmetry-independent mechanism bypasses the constraints of conventional symmetry-based engineering, and also offers an ideal platform for probing the anomalous transport properties of WSMs.

8 pages, 8 figures